6-[[5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione

Systemtic Name: 6-[[5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[5-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[5-[[2-(1-azepanyl)-2-oxoethyl]thio]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[5-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]uracil Formula: C22H26N6O4S MolecularWeight: 470.54464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)N3CCCCCC3)CC4=CC(=O)NC(=O)N4

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)N3CCCCCC3)CC4=CC(=O)NC(=O)N4

InChI

InChI=1S/C22H26N6O4S/c1-32-17-8-6-7-16(13-17)28-18(11-15-12-19(29)24-21(31)23-15)25-26-22(28)33-14-20(30)27-9-4-2-3-5-10-27/h6-8,12-13H,2-5,9-11,14H2,1H3,(H2,23,24,29,31)